N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methoxybenzohydrazide

C16H13N3O4S — CID 43953308

IUPACN'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNc2nc3cc4c(cc3s2)OCO4)cc1
InChIInChI=1S/C16H13N3O4S/c1-21-10-4-2-9(3-5-10)15(20)18-19-16-17-11-6-12-13(23-8-22-12)7-14(11)24-16/h2-7H,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyLZBSYENRFJOBQK-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.79
Rot. Bonds4

About N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methoxybenzohydrazide

N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methoxybenzohydrazide (PubChem CID 43953308) has the molecular formula C16H13N3O4S and a molecular weight of 343.36 g/mol. Its IUPAC name is N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methoxybenzohydrazide
PubChem CID43953308
Molecular FormulaC16H13N3O4S
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC NameN'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNc2nc3cc4c(cc3s2)OCO4)cc1
InChIInChI=1S/C16H13N3O4S/c1-21-10-4-2-9(3-5-10)15(20)18-19-16-17-11-6-12-13(23-8-22-12)7-14(11)24-16/h2-7H,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyLZBSYENRFJOBQK-UHFFFAOYSA-N
XLogP2.79
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,6-dimethoxybenzohydrazide
CID 43953324
4-(dimethylamino)-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953148
N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
CID 43968835
4-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 7105614
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)acetamide
CID 5310257
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-propan-2-ylsulfanylbenzamide
CID 41147694
4-(diethylsulfamoyl)-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide
CID 22581313
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 40959861
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-propan-2-ylsulfonylbenzamide
CID 41148959
N'-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzohydrazide
CID 7105629
1-[2-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 7110089
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682

Frequently Asked Questions

What is the IUPAC name of N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methoxybenzohydrazide?
The IUPAC name of N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methoxybenzohydrazide (CID 43953308) is N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methoxybenzohydrazide.
What is the SMILES notation for N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methoxybenzohydrazide?
The canonical SMILES for N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methoxybenzohydrazide is COc1ccc(C(=O)NNc2nc3cc4c(cc3s2)OCO4)cc1.
What is the InChIKey of N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methoxybenzohydrazide?
The InChIKey is LZBSYENRFJOBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S/c1-21-10-4-2-9(3-5-10)15(20)18-19-16-17-11-6-12-13(23-8-22-12)7-14(11)24-16/h2-7H,8H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methoxybenzohydrazide?
N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methoxybenzohydrazide has a molecular weight of 343.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methoxybenzohydrazide is sourced from PubChem (CID 43953308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).